BDBM118041 US8637558, 65

SMILES: CC1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2C(F)(F)F)CC1

InChI Key: InChIKey=PNCLBJFWMBQHFY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 118041   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM118041 (US8637558, 65) Show SMILES CC1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2C(F)(F)F)CC1 |w:11.10,c:15,(-7.85,-3.21,;-6.52,-2.44,;-6.52,-.9,;-5.19,-.13,;-3.85,-.9,;-2.52,-.13,;-1.18,-.9,;.15,-.13,;1.48,-.9,;2.82,-.13,;2.82,1.41,;4.15,2.18,;5.48,1.41,;5.48,-.13,;6.95,-.61,;7.72,-1.94,;7.85,.64,;6.95,1.88,;7.72,3.21,;1.48,2.18,;.15,1.41,;-1.18,2.18,;-2.52,1.41,;-1.58,3.66,;-2.67,2.57,;-3.85,-2.44,;-5.19,-3.21,)| Show InChI InChI=1S/C19H20F3NO3S/c1-11-2-4-12(5-3-11)10-26-15-7-6-13(8-14(15)19(20,21)22)9-16-17(24)23-18(25)27-16/h6-9,11-12H,2-5,10H2,1H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31.4	n/a	n/a	n/a	n/a	7.5	n/a
Industry-Academic Cooperation Foundation, Chosun University US Patent					Assay Description Experimental was performed by measuring the formation of NADH at 340 nm with a fluorescence spectrophotometer. Specifically, 2 ml (in total) of the s...				US Patent US8637558 (2014) BindingDB Entry DOI: 10.7270/Q280519F
					More data for this Ligand-Target Pair